TDR Targets

Basic information

Technical information

TDR Targets ID: 419786
Name: ethyl 1-(2-chloro-2-phenylethyl)-4-[2-(3-chlo rophenyl)ethylamino]pyrazolo[3,4-b]pyridine-5 -carboxylate
MW: 483.39 | Formula: C25H24Cl2N4O2
H donors: 1 H acceptors: 3 LogP: 6.23 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cnc2c(c1NCCc1cccc(c1)Cl)cnn2CC(c1ccccc1)Cl
InChi: 1S/C25H24Cl2N4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-12-11-17-7-6-10-19(26)13-17)15-30-31(24)16-22(27)18-8-4-3-5-9-18/h3-10,13-15,22H,2,11-12,16H2,1H3,(H,28,29)
InChiKey: MHBNNSFFNAXGRR-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

ethyl 1-(2-chloro-2-phenyl-ethyl)-4-[2-(3-chlorophenyl)ethylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
1-(2-chloro-2-phenylethyl)-4-[2-(3-chlorophenyl)ethylamino]-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
1-(2-chloro-2-phenyl-ethyl)-4-[2-(3-chlorophenyl)ethylamino]pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
ethyl 1-(2-chloro-2-phenylethyl)-4-[2-(3-chlorophenyl)ethylamino]pyrazolo[4,5-e]pyridine-5-carboxylate
ethyl 1-(2-chloro-2-phenyl-ethyl)-4-[2-(3-chlorophenyl)ethylamino]pyrazolo[4,5-e]pyridine-5-carboxylate
1-(2-chloro-2-phenylethyl)-4-[2-(3-chlorophenyl)ethylamino]-5-pyrazolo[4,5-e]pyridinecarboxylic acid ethyl ester
1-(2-chloro-2-phenyl-ethyl)-4-[2-(3-chlorophenyl)ethylamino]pyrazolo[4,5-e]pyridine-5-carboxylic acid ethyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adenosine A1 receptor	Starlite/ChEMBL	References
Bos taurus	Adenosine A1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	allatostatin A receptor	Adenosine A1 receptor	326 aa	306 aa	26.1 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	326 aa	20.2 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	314 aa	21.7 %
Brugia malayi	hypothetical protein	adenosine A1 receptor	326 aa	305 aa	21.0 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	277 aa	23.8 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	301 aa	25.6 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	312 aa	24.0 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A1 receptor	326 aa	304 aa	25.3 %
Schistosoma mansoni	opsin-like receptor	Adenosine A1 receptor	326 aa	312 aa	22.1 %
Schistosoma mansoni	opsin-like receptor	Adenosine A1 receptor	326 aa	315 aa	23.8 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	296 aa	22.6 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	307 aa	21.2 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	311 aa	21.9 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	318 aa	22.3 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	331 aa	25.7 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	311 aa	21.9 %
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0087	0.1138	0.1138
Trypanosoma brucei	calpain-like protein, putative	0.0087	0.1138	0.3827
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	amine GPCR	0.0034	0.0138	0.0138
Brugia malayi	RE15519p	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	calpain family protein 1	0.0232	0.3823	0.3823
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0335	0.0335
Brugia malayi	Serotonin receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0087	0.1138	0.1138
Brugia malayi	putative neuropeptide receptor NPR1	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	calpain (C02 family)	0.0087	0.1138	0.1138
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0049	0.0429	0.0429
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0335	0.02
Schistosoma mansoni	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.0138	0.0138
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0087	0.1138	0.3827
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0335	0.02
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Brugia malayi	MAP kinase sur-1	0.0049	0.0429	0.0429
Giardia lamblia	Cathepsin B precursor	0.0186	0.2972	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0087	0.1138	0.3827
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0049	0.0429	0.1445
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0087	0.1138	0.1138
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0049	0.0429	0.0429
Schistosoma mansoni	calpain-7 (C02 family)	0.0087	0.1138	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.0138	0.0138
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0335	0.0335
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0335	0.02
Brugia malayi	AKH receptor	0.0034	0.0138	0.0138
Trypanosoma cruzi	kinesin, putative	0.0061	0.0649	0.0649
Schistosoma mansoni	histamine h1 receptor	0.0034	0.0138	0.0138
Trypanosoma brucei	protein kinase, putative	0.0049	0.0429	0.1445
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0034	0.0138	0.0138
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0087	0.1138	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Brugia malayi	calpain 5	0.0061	0.0649	0.0649
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	amine GPCR	0.0034	0.0138	0.0138
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0563	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0061	0.0649	0.9874
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0034	0.0138	0.0138
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0087	0.1138	0.1138
Schistosoma mansoni	neuropeptide receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0563	1	1
Brugia malayi	Dopamine receptor protein 2	0.0034	0.0138	0.0138
Schistosoma mansoni	neuropeptide receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	amine GPCR	0.0034	0.0138	0.0138
Schistosoma mansoni	amine GPCR	0.0034	0.0138	0.0138
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0034	0.0138	0.0138
Schistosoma mansoni	calpain C (C02 family)	0.0087	0.1138	0.1138
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0186	0.2972	0.2972
Onchocerca volvulus		0.0144	0.2196	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0186	0.2972	1
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus granulosus	mitogen activated protein kinase 3	0.0049	0.0429	0.0295
Echinococcus granulosus	muscleblind protein	0.0145	0.2203	0.2094
Schistosoma mansoni	growth hormone secretagogue receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	biogenic amine receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0145	0.2203	0.2203
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0034	0.0138	0.0138
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0087	0.1138	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Brugia malayi	calpain family protein 1	0.0232	0.3823	0.3823
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0232	0.3823	0.3823
Brugia malayi	GnHR receptor homolog	0.0034	0.0138	0.0138
Brugia malayi	neuropeptide F receptor	0.0034	0.0138	0.0138
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0429	0.1445
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0049	0.0429	0.1445
Loa Loa (eye worm)	calpain	0.0087	0.1138	0.1138
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0087	0.1138	0.3827
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Brugia malayi	larval opioid receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	neuropeptide F-like receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0087	0.1138	0.1138
Trypanosoma brucei	kinesin, putative	0.0061	0.0649	0.2182
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0087	0.1138	0.1138
Brugia malayi	putative neuropeptide receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0034	0.0138	0.0138
Brugia malayi	Serotonin receptor	0.0034	0.0138	0.0138
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0186	0.2972	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0563	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	biogenic amine receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0335	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0145	0.2203	0.2203
Trypanosoma brucei	calpain-like protein, putative	0.0087	0.1138	0.3827
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.0138	0.0138
Plasmodium vivax	calpain, putative	0.0087	0.1138	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0034	0.0138	0.0138
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0429	0.1445
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0186	0.2972	0.2972
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus multilocularis	calpain 5	0.0087	0.1138	0.1013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.0138	0.0138
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0034	0.0138	0.0138
Brugia malayi	ORL1-like opioid receptor	0.0034	0.0138	0.0138
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus granulosus	calpain A	0.0242	0.4018	0.3934
Loa Loa (eye worm)	cathepsin B	0.0186	0.2972	0.2972
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0034	0.0138	0.0138
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0242	0.4018	0.3934
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.2203	0.2094
Echinococcus multilocularis	mitogen activated protein kinase	0.0049	0.0429	0.0295
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0087	0.1138	0.3827
Brugia malayi	G-protein coupled receptor	0.0034	0.0138	0.0138
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0429	0.1445
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0335	0.02
Schistosoma mansoni	myosin xvIII	0.0034	0.0138	0.0138
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0034	0.0138	0.0138
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0335	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0049	0.0429	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0335	0.0335
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0034	0.0138	0.0138
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0429	0.0429
Giardia lamblia	Cathepsin B precursor	0.0186	0.2972	1
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus granulosus	calpain A	0.0087	0.1138	0.1013
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Trypanosoma brucei	antigen, putative	0.0087	0.1138	0.3827
Brugia malayi	follicle stimulating hormone receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	neuropeptide receptor	0.0034	0.0138	0.0138
Echinococcus multilocularis	cathepsin b	0.0563	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Brugia malayi	sulfakinin receptor protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	calpain family protein 1	0.017	0.2685	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0034	0.0138	0.0138
Trypanosoma brucei	calpain-like protein, putative	0.0087	0.1138	0.3827
Schistosoma mansoni	neuropeptide f receptor 76f	0.0034	0.0138	0.0138
Leishmania major	kinesin, putative	0.0061	0.0649	0.2182
Brugia malayi	G protein-coupled receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	neuropeptide F receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.0138	0.0138
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.017	0.2685	0.2685
Entamoeba histolytica	protein kinase, putative	0.0062	0.0657	1
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0429	0.1445
Brugia malayi	calpain family protein 1	0.0232	0.3823	0.3823
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	neuropeptide F receptor	0.0034	0.0138	0.0138
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0087	0.1138	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	amine GPCR	0.0034	0.0138	0.0138
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0049	0.0429	0.1445
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0034	0.0138	0.0138
Schistosoma mansoni	opsin-like receptor	0.0034	0.0138	0.0138
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0087	0.1138	0.3827
Echinococcus multilocularis	calpain A	0.0242	0.4018	0.3934
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus granulosus	cathepsin b	0.0563	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Loa Loa (eye worm)	calpain 5	0.0061	0.0649	0.0649
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0563	1	1
Schistosoma mansoni	opsin-like receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0242	0.4018	0.4018
Brugia malayi	G protein-coupled receptor F59B2.13	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0144	0.2196	0.2196
Schistosoma mansoni	serine/threonine protein kinase	0.0049	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus multilocularis	calpain family protein 1, d	0.017	0.2685	0.2583
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus granulosus	calpain	0.0087	0.1138	0.1013
Schistosoma mansoni	opsin-like receptor	0.0034	0.0138	0.0138
Brugia malayi	calpain 7	0.0087	0.1138	0.1138
Loa Loa (eye worm)	G-protein coupled receptor	0.0034	0.0138	0.0138
Echinococcus multilocularis	calpain 7 (C02 family)	0.0087	0.1138	0.1013
Trypanosoma brucei	calpain-like protein, putative	0.0087	0.1138	0.3827
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0049	0.0429	0.1445
Echinococcus granulosus	cathepsin b	0.0563	1	1
Echinococcus granulosus	mitogen activated protein kinase	0.0049	0.0429	0.0295
Brugia malayi	Muscleblind-like protein	0.0145	0.2203	0.2203
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0034	0.0138	0.0138
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0049	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0232	0.3823	0.3823
Loa Loa (eye worm)	hypothetical protein	0.0205	0.3334	0.3334
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.0138	0.0138
Toxoplasma gondii	cathepsin B	0.0186	0.2972	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0087	0.1138	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0563	1	1
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	biogenic amine receptor	0.0034	0.0138	0.0138
Giardia lamblia	Cathepsin B precursor	0.0186	0.2972	1
Schistosoma mansoni	neuropeptide receptor	0.0034	0.0138	0.0138
Echinococcus multilocularis	cathepsin b	0.0563	1	1
Brugia malayi	neuropeptide F receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus granulosus	calpain 5	0.0087	0.1138	0.1013
Echinococcus multilocularis	muscleblind protein	0.0145	0.2203	0.2094
Schistosoma mansoni	calpain-7 (C02 family)	0.0087	0.1138	0.1138
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0242	0.4018	0.3934
Echinococcus granulosus	calpain 7 C02 family	0.0087	0.1138	0.1013
Schistosoma mansoni	adenoreceptor	0.0034	0.0138	0.0138
Brugia malayi	Melatonin receptor type 1A	0.0034	0.0138	0.0138
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	neuropeptide F-like receptor	0.0034	0.0138	0.0138
Trypanosoma cruzi	kinesin, putative	0.0061	0.0649	0.0649
Plasmodium falciparum	calpain	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Echinococcus multilocularis	hypothetical protein	0.0087	0.1138	0.1013
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0034	0.0138	0.0138
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0563	1	1
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Brugia malayi	Dopamine receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.0138	0.0138
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0034	0.0138	0.0138
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0186	0.2972	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0034	0.0138	0.0138
Schistosoma mansoni	hypothetical protein	0.0034	0.0138	0.0138
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Brugia malayi	G-protein coupled receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	TYRA-2 protein	0.0034	0.0138	0.0138
Brugia malayi	Dopamine receptor protein 1	0.0034	0.0138	0.0138
Loa Loa (eye worm)	G-protein coupled receptor	0.0034	0.0138	0.0138
Loa Loa (eye worm)	melatonin receptor type 1A	0.0034	0.0138	0.0138
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0242	0.4018	0.4018
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.0138	0.0138
Brugia malayi	hypothetical protein	0.0034	0.0138	0.0138
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.0138	0.0138
Echinococcus multilocularis	calpain	0.0087	0.1138	0.1013
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0087	0.1138	0.1138

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 21 %	Displacement of [3HCGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes at 10 uM	ChEMBL.	16279775
Inhibition (binding)	= 21 %	Displacement of [3HCGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes at 10 uM	ChEMBL.	16279775
Ki (binding)		Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells	ChEMBL.	16279775
Ki (binding)	= -6.7	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells	ChEMBL.	16279775
Ki (binding)	0	Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells	ChEMBL.	16279775
Ki (binding)	= 178 nM	Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes	ChEMBL.	16279775
Ki (binding)	= 178 nM	Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes	ChEMBL.	16279775
Log Ki (binding)	= 6.7	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells	ChEMBL.	16279775

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL389644
PubChem: 11518657

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 419786